N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-naphthalen-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-naphthalen-2-ylsulfanyl-ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(2-naphthylsulfanyl)acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(2-naphthalenylthio)acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-naphthalen-2-ylsulfanylacetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-(2-naphthylthio)acetamide Formula: C22H21ClN2O3S2 MolecularWeight: 460.99674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21ClN2O3S2/c23-20-10-9-19(30(27,28)25-11-3-4-12-25)14-21(20)24-22(26)15-29-18-8-7-16-5-1-2-6-17(16)13-18/h1-2,5-10,13-14H,3-4,11-12,15H2,(H,24,26)